Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.49 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3933970 | 0.86 | DDB1 (0.52) | ALDH1A1DDB1CRBNTDP1MAPK1 | |
| SCHEMBL23460656 | 0.85 | ALDH1A1 (0.53) | ALDH1A1DDB1CRBNTDP1MAPK1 | |
| SCHEMBL21504135 | 0.81 | ALDH1A1 (0.45) | ALDH1A1DDB1CRBNTDP1MAPK1 | |
| SCHEMBL21504136 | 0.80 | DDB1 (0.47) | ALDH1A1DDB1CRBNTDP1MAPK1 | |
| SCHEMBL31613300 | 0.79 | CYP17A1 (0.63) | ALDH1A1DDB1CRBNTDP1MAPK1 | |
| SCHEMBL20564912 | 0.78 | ALDH1A1 (0.49) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL4803798 | 0.77 | EPHX1 (0.48) | ALDH1A1TDP1L3MBTL1KMT2A | |
| SCHEMBL1200111 | 0.77 | DDB1 (0.54) | ALDH1A1DDB1CRBNTDP1MAPK1 | |
| SCHEMBL1733254 | 0.77 | CYP17A1 (0.73) | ALDH1A1LMNACYP17A1CYP19A1 | |
| SCHEMBL3931219 | 0.77 | ALDH1A1 (0.56) | ALDH1A1DDB1CRBNTDP1MAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114349774-B | Preparation method of bicyclo [1.1.1] amyl angular borate compound | 凯美克(上海)医药科技有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-114349774-A | Preparation method of bicyclo [1.1.1] pentyl angular position borate compound | 凯美克(上海)医药科技有限公司 | 2022-04-15 | — | — | CN | disclosed |